SCHEMBL5239435

SCHEMBL5239435

CSc1ccc(OCCN2CCN(CCCC(C#N)(c3ccsc3)C(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.43
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
LTA4H P09960 1/20 0.38
HRH3 Q9Y5N1 5/20 0.37
MEN1 O00255 2/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PSMB1 P20618 3/20 0.34
PSMB5 P28074 3/20 0.34
PSMB2 P49721 2/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5241698 0.90 MEN1 (0.46) CACNA1BHRH2HRH1HRH3MEN1
SCHEMBL5753687 0.87 CACNA1B (0.51) CACNA1BHRH2HRH1LTA4HMEN1
SCHEMBL5238853 0.86 CACNA1B (0.42) CACNA1BHRH2HRH1LTA4HHRH3
SCHEMBL5241063 0.84 CACNA1B (0.47) CACNA1BHRH2HRH1HRH3MEN1
SCHEMBL5272490 0.84 CACNA1B (0.41) CACNA1BHRH2HRH1LTA4HHRH3
SCHEMBL5238510 0.82 CACNA1B (0.45) CACNA1BHRH3MEN1DRD3KMT2A
SCHEMBL5239443 0.81 CACNA1B (0.40) CACNA1BHRH2HRH1LTA4HMEN1
SCHEMBL5241127 0.80 CACNA1B (0.46) CACNA1BHRH3DRD3ALDH1A1
SCHEMBL5240756 0.79 CACNA1B (0.42) CACNA1BHRH2HRH1LTA4HHRH3
SCHEMBL5752298 0.78 ALDH1A1 (0.51) CACNA1BHRH1LTA4HHRH3MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818326-A1 Nitrogen-containing heterocyclic compounds and pharmaceutical composition containing the compounds Eisai R&D Management Co., Ltd. (JP) 2007-08-15 EP disclosed
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-04-20 US disclosed
US-6906072-B1 Piperazine compound and pharmaceutical composition containing the compound EISAI CO., LTD. (JP) 2005-06-14 US disclosed
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound EISAI CO., LTD. 2004-11-04 US disclosed
EP-1254895-A1 NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040220193-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1D, CACNA1B, CACNA1E CACNA1B 2/4885HRH2 66/4885HRH1 63/4885
US-20060084658-A1 Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound CACNA1B, CACNA1E, CACNA1D CACNA1B 1/4885HRH2 62/4885HRH1 55/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.